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Home > Boronic Acids > 871329-54-3
871329-54-3 | (4-(tert-Butyl)-3-nitrophenyl)boronic acid
CAS No: 871329-54-3 Catalog No: AG008FBN MDL No:MFCD07363743
Product Description
Catalog Number:
AG008FBN
Chemical Name:
(4-(tert-Butyl)-3-nitrophenyl)boronic acid
CAS Number:
871329-54-3
Molecular Formula:
C10H14BNO4
Molecular Weight:
223.0335
MDL Number:
MFCD07363743
IUPAC Name:
(4-tert-butyl-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C10H14BNO4/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12(15)16/h4-6,13-14H,1-3H3
InChI Key:
JDDLCTBTDFIGGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(C)(C)C)B(O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.035g/mol
Monoisotopic Mass:
223.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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